N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-6-[[(4-methylphenyl)-diphenylmethyl]amino]hexanamide

C38H48N2O2Si — CID 175739031

IUPACN-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-6-[[(4-methylphenyl)-diphenylmethyl]amino]hexanamide
SMILESCc1ccc(C(NCCCCCC(=O)Nc2ccc(O[Si](C)(C)C(C)(C)C)cc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C38H48N2O2Si/c1-30-21-23-33(24-22-30)38(31-16-10-7-11-17-31,32-18-12-8-13-19-32)39-29-15-9-14-20-36(41)40-34-25-27-35(28-26-34)42-43(5,6)37(2,3)4/h7-8,10-13,16-19,21-28,39H,9,14-15,20,29H2,1-6H3,(H,40,41)
InChIKeyVISBVZJVLJEKND-UHFFFAOYSA-N
MW592.90 g/mol
LogP9.46
Rot. Bonds13

About N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-6-[[(4-methylphenyl)-diphenylmethyl]amino]hexanamide

N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-6-[[(4-methylphenyl)-diphenylmethyl]amino]hexanamide (PubChem CID 175739031) has the molecular formula C38H48N2O2Si and a molecular weight of 592.90 g/mol. Its IUPAC name is N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-6-[[(4-methylphenyl)-diphenylmethyl]amino]hexanamide.

Molecular Properties

Compound NameN-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-6-[[(4-methylphenyl)-diphenylmethyl]amino]hexanamide
PubChem CID175739031
Molecular FormulaC38H48N2O2Si
Molecular Weight592.90 g/mol
Exact Mass592.35
IUPAC NameN-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-6-[[(4-methylphenyl)-diphenylmethyl]amino]hexanamide
SMILESCc1ccc(C(NCCCCCC(=O)Nc2ccc(O[Si](C)(C)C(C)(C)C)cc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C38H48N2O2Si/c1-30-21-23-33(24-22-30)38(31-16-10-7-11-17-31,32-18-12-8-13-19-32)39-29-15-9-14-20-36(41)40-34-25-27-35(28-26-34)42-43(5,6)37(2,3)4/h7-8,10-13,16-19,21-28,39H,9,14-15,20,29H2,1-6H3,(H,40,41)
InChIKeyVISBVZJVLJEKND-UHFFFAOYSA-N
XLogP9.46
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.90
LogP ≤ 59.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

N'-(4-tert-butylphenyl)-N-(4-methylphenyl)decanediamide
CID 173311186
N'-(2-hydroxyphenyl)-N-(4-methylphenyl)heptanediamide
CID 45254124
2-amino-N-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]phenyl]-6-[[(4-methylphenyl)-diphenylmethyl]amino]hexanamide
CID 175730276
N'-(3,5-dimethylphenyl)-N-(4-methylphenyl)decanediamide
CID 173312766
5-oxo-5-[4-[4-(2-phenylpropan-2-yl)phenoxy]anilino]pentanoic acid
CID 4178212
7,7-dimethyl-N-phenyloctanamide
CID 68837139
3-(4-tert-butylphenoxy)-N-(4-methylphenyl)propanamide
CID 18266665
N-benzyl-N'-(4-methylphenyl)decanediamide
CID 173311347
4-(methylamino)-N-(4-methylphenyl)butanamide
CID 60842217
4-[3-[2-[2-[3-[[(4-methoxyphenyl)-(4-methylphenyl)-phenylmethyl]amino]propoxy]ethoxy]ethoxy]propylamino]-4-oxobutanoic acid
CID 51340441
N-[3-[4-(4-methylphenoxy)anilino]-3-oxopropyl]benzamide
CID 24636986
N,N'-bis(4-methoxyphenyl)dodecanediamide
CID 5187461

Frequently Asked Questions

What is the IUPAC name of N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-6-[[(4-methylphenyl)-diphenylmethyl]amino]hexanamide?
The IUPAC name of N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-6-[[(4-methylphenyl)-diphenylmethyl]amino]hexanamide (CID 175739031) is N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-6-[[(4-methylphenyl)-diphenylmethyl]amino]hexanamide.
What is the SMILES notation for N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-6-[[(4-methylphenyl)-diphenylmethyl]amino]hexanamide?
The canonical SMILES for N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-6-[[(4-methylphenyl)-diphenylmethyl]amino]hexanamide is Cc1ccc(C(NCCCCCC(=O)Nc2ccc(O[Si](C)(C)C(C)(C)C)cc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-6-[[(4-methylphenyl)-diphenylmethyl]amino]hexanamide?
The InChIKey is VISBVZJVLJEKND-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H48N2O2Si/c1-30-21-23-33(24-22-30)38(31-16-10-7-11-17-31,32-18-12-8-13-19-32)39-29-15-9-14-20-36(41)40-34-25-27-35(28-26-34)42-43(5,6)37(2,3)4/h7-8,10-13,16-19,21-28,39H,9,14-15,20,29H2,1-6H3,(H,40,41).
What are the key properties of N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-6-[[(4-methylphenyl)-diphenylmethyl]amino]hexanamide?
N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-6-[[(4-methylphenyl)-diphenylmethyl]amino]hexanamide has a molecular weight of 592.90 g/mol, XLogP of 9.46, 13 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-6-[[(4-methylphenyl)-diphenylmethyl]amino]hexanamide is sourced from PubChem (CID 175739031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).